SCHEMBL10037276

SCHEMBL10037276

CC(C)(C)C(=O)[C@H](N)CN

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A5 Q01650 1/20 0.32
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GSR P00390 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10037279 1.00 GRIK1 (0.32) GRIK1ALDH1A1MAPTPTGS1SLC7A5
Glycine SCHEMBL28524251 0.91 GLRA1 (0.43) GRIK1ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL10110827 0.80 DPP7 (0.40) GRIK1DPP4DPP9DPP7GSR
SCHEMBL12680193 0.80 DPP7 (0.40) GRIK1DPP4DPP9DPP7GSR
SCHEMBL18159724 0.80 DPP7 (0.40) GRIK1DPP4DPP9DPP7GSR
SCHEMBL24667723 0.79 SLC1A2 (0.38) GRIK1ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL17085295 0.79 SLC1A1 (0.34) GRIK1ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL15745571 0.79 SLC1A1 (0.34) GRIK1ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL17789294 0.79 SLC1A1 (0.34) GRIK1ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL17637587 0.79 SLC1A2 (0.38) GRIK1ALDH1A1MAPTPTGS1SLC7A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL GRIK1 1932/4885ALDH1A1 533/4885MAPT 3743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.